(3,5-dichlorophenyl)-(3,4-dimethylcyclohexyl)methanol

C15H20Cl2O — CID 64739213

IUPAC(3,5-dichlorophenyl)-(3,4-dimethylcyclohexyl)methanol
SMILESCC1CCC(C(O)c2cc(Cl)cc(Cl)c2)CC1C
InChIInChI=1S/C15H20Cl2O/c1-9-3-4-11(5-10(9)2)15(18)12-6-13(16)8-14(17)7-12/h6-11,15,18H,3-5H2,1-2H3
InChIKeyBVCMLRRIRCEAAP-UHFFFAOYSA-N
MW287.23 g/mol
LogP5.10
Rot. Bonds2

About (3,5-dichlorophenyl)-(3,4-dimethylcyclohexyl)methanol

(3,5-dichlorophenyl)-(3,4-dimethylcyclohexyl)methanol (PubChem CID 64739213) has the molecular formula C15H20Cl2O and a molecular weight of 287.23 g/mol. Its IUPAC name is (3,5-dichlorophenyl)-(3,4-dimethylcyclohexyl)methanol.

Molecular Properties

Compound Name(3,5-dichlorophenyl)-(3,4-dimethylcyclohexyl)methanol
PubChem CID64739213
Molecular FormulaC15H20Cl2O
Molecular Weight287.23 g/mol
Exact Mass286.09
IUPAC Name(3,5-dichlorophenyl)-(3,4-dimethylcyclohexyl)methanol
SMILESCC1CCC(C(O)c2cc(Cl)cc(Cl)c2)CC1C
InChIInChI=1S/C15H20Cl2O/c1-9-3-4-11(5-10(9)2)15(18)12-6-13(16)8-14(17)7-12/h6-11,15,18H,3-5H2,1-2H3
InChIKeyBVCMLRRIRCEAAP-UHFFFAOYSA-N
XLogP5.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.23
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3,4-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methanol
CID 107502825
(3,4-dimethylcyclohexyl)-phenylmethanol
CID 64740008
(3,4-dimethylcyclohexyl)-(3-methylphenyl)methanol
CID 64739613
(3,4-dimethylcyclohexyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 115351175
2,3-dihydro-1H-inden-5-yl-(3,4-dimethylcyclohexyl)methanol
CID 115806114
1,3-benzodioxol-5-yl-(3,4-dimethylcyclohexyl)methanol
CID 64738404
(2,4-difluoro-5-methylphenyl)-(3,4-dimethylcyclohexyl)methanol
CID 115806125
(5-chlorothiophen-2-yl)-(3,4-dimethylcyclohexyl)methanol
CID 64738002
3-[(3,4-dimethylcyclohexyl)-hydroxymethyl]benzonitrile
CID 113318860
(3,5-dichlorophenyl)-(oxolan-3-yl)methanol
CID 63899921
(4-chloro-3-fluorophenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 114025177
(3,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanol
CID 64739414

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)-(3,4-dimethylcyclohexyl)methanol?
The IUPAC name of (3,5-dichlorophenyl)-(3,4-dimethylcyclohexyl)methanol (CID 64739213) is (3,5-dichlorophenyl)-(3,4-dimethylcyclohexyl)methanol.
What is the SMILES notation for (3,5-dichlorophenyl)-(3,4-dimethylcyclohexyl)methanol?
The canonical SMILES for (3,5-dichlorophenyl)-(3,4-dimethylcyclohexyl)methanol is CC1CCC(C(O)c2cc(Cl)cc(Cl)c2)CC1C.
What is the InChIKey of (3,5-dichlorophenyl)-(3,4-dimethylcyclohexyl)methanol?
The InChIKey is BVCMLRRIRCEAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2O/c1-9-3-4-11(5-10(9)2)15(18)12-6-13(16)8-14(17)7-12/h6-11,15,18H,3-5H2,1-2H3.
What are the key properties of (3,5-dichlorophenyl)-(3,4-dimethylcyclohexyl)methanol?
(3,5-dichlorophenyl)-(3,4-dimethylcyclohexyl)methanol has a molecular weight of 287.23 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)-(3,4-dimethylcyclohexyl)methanol is sourced from PubChem (CID 64739213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).